Geometry & MOs

Info

ID:	64903
PubChem CID:	29204173
Reduced:	SO3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	332.140389
ΔH_f, kcal/mol:	-88.24
Dipole, Da:	1.5
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC(=O)CCC(=O)NC2=C(C=CS2)C(=O)N

DOS

IR

Vibrations